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Home Carboxys tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

CAS No.:
444620-69-3
Catalog Number:
AG00DCUA
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$467
- +
Product Description
Catalog Number:
AG00DCUA
Chemical Name:
tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate
CAS Number:
444620-69-3
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
MDL Number:
MFCD12912144
IUPAC Name:
tert-butyl 4-isoquinolin-5-ylpiperazine-1-carboxylate
InChI:
InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)16-6-4-5-14-13-19-8-7-15(14)16/h4-8,13H,9-12H2,1-3H3
InChI Key:
NHFVAONVLCETEV-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cccc2c1ccnc2)OC(C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.179g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.401g/mol
Monoisotopic Mass:
313.179g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties